5COK

X-ray crystal structure of wild type HIV-1 protease in complex with GRL-0476

Summary for 5COK

Entry DOI	10.2210/pdb5cok/pdb
Related	4HLA 5CON 5COO
Descriptor	HIV-1 protease, (3aS,4S,7aR)-hexahydro-4H-furo[2,3-b]pyran-4-yl [(2S,3R)-3-hydroxy-4-{[(4-methoxyphenyl)sulfonyl](2-methylpropyl)amino}-1-phenylbutan-2-yl]carbamate (3 entities in total)
Functional Keywords	grl-0476, hiv-1 protease, protease-inhibitor, darunavir, tp-thf, nonpeptidic, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	2
Total formula weight	22182.24
Authors	Yedidi, R.S.,Hayashi, H.,Aoki, M.,Das, D.,Ghosh, A.K.,Mitsuya, H. (deposition date: 2015-07-20, release date: 2016-01-13, Last modification date: 2024-03-06)
Primary citation	Aoki, M.,Hayashi, H.,Yedidi, R.S.,Martyr, C.D.,Takamatsu, Y.,Aoki-Ogata, H.,Nakamura, T.,Nakata, H.,Das, D.,Yamagata, Y.,Ghosh, A.K.,Mitsuya, H. C-5-Modified Tetrahydropyrano-Tetrahydofuran-Derived Protease Inhibitors (PIs) Exert Potent Inhibition of the Replication of HIV-1 Variants Highly Resistant to Various PIs, including Darunavir. J.Virol., 90:2180-2194, 2015 Cited by PubMed: 26581995 DOI: 10.1128/JVI.01829-15 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.801 Å)

Structure validation